ethyl 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C18H21F3N3O2+ MolecularWeight: 368.37345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CC[NH+](CC3)C)C=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CC[NH+](CC3)C)C=CC=C2C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2/c1-3-26-17(25)13-11-22-15-12(5-4-6-14(15)18(19,20)21)16(13)24-9-7-23(2)8-10-24/h4-6,11H,3,7-10H2,1-2H3/p+1